SCHEMBL10244111

SCHEMBL10244111

O=C(c1ccc2c(c1)OCCO2)N1C2CCC1CC(c1ccccc1F)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CTNNB1 P35222 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ TSHR P16473 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RECQL P46063 1/20 0.43
▸ GAA P10253 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10244148 0.88 RAB9A (0.48) ALDH1A1LMNAHSD17B10CTNNB1WNT3A
SCHEMBL17350939 0.88 RAB9A (0.48) ALDH1A1LMNAHSD17B10CTNNB1WNT3A
SCHEMBL17350882 0.88 PKLR (0.49) ALDH1A1LMNAHSD17B10CTNNB1WNT3A
SCHEMBL17350821 0.88 ALDH1A1 (0.48) ALDH1A1CTNNB1TSHRSMN1; SMN2HPGD
SCHEMBL10243969 0.88 ALDH1A1 (0.48) ALDH1A1CTNNB1TSHRSMN1; SMN2HPGD
SCHEMBL10243929 0.88 PKLR (0.49) ALDH1A1LMNAHSD17B10CTNNB1WNT3A
SCHEMBL10243946 0.86 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10TSHRPKLR
SCHEMBL10244680 0.84 CTNNB1 (0.49) ALDH1A1HSD17B10CTNNB1WNT3ATSHR
SCHEMBL17350634 0.84 CTNNB1 (0.49) ALDH1A1HSD17B10CTNNB1WNT3ATSHR
SCHEMBL10243986 0.84 ALDH1A1 (0.54) ALDH1A1LMNACTNNB1TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — US disclosed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 141/4885LMNA 2595/4885HSD17B10 14/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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